HRID1566657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCC2C1C(Oc1ccc(F)c(F)c1)CN2c1ncccn1

HCID67608380

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(N)C(=O)N1CCC2C1C(Oc1ccc(F)c(F)c1)CN2c1ncccn1

HCID67505937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9ab803fe16b47199da0742582a6c0ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([O:2][C:3](=[O:4])[NH:10][CH:11]([C:12]([CH3:13])([CH3:14])[CH3:15])[C:16](=[O:17])[N:18]1[CH:19]2[CH:20]([CH2:21][CH2:22]1)[N:23]([c:35]1[n:36][cH:37][cH:38][cH:39][n:40]1)[CH2:24][CH:25]2[O:26][c:27]1[cH:28][c:29]([F:34])[c:30]([F:33])[cH:31][cH:32]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:41]1.[CH3:42][OH:43]>>[NH2:10][CH:11]([C:12]([CH3:13])([CH3:14])[CH3:15])[C:16](=[O:17])[N:18]1[CH:19]2[CH:20]([CH2:21][CH2:22]1)[N:23]([c:35]1[n:36][cH:37][cH:38][cH:39][n:40]1)[CH2:24][CH:25]2[O:26][c:27]1[cH:28][c:29]([F:34])[c:30]([F:33])[cH:31][cH:32]1